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	hartrees
Energy at 0K	-207.589644
Energy at 298.15K	-207.589392
HF Energy	-207.589644
Nuclear repulsion energy	6.130760

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.486
Mg2	0.000	0.000	0.621

	Li1	Mg2
Li1		3.1073
Mg2	3.1073

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	-0.154
2	Mg	0.154

	x	y	z	Total
	0.000	0.000	-0.562	0.562
CHELPG
AIM
ESP

All results from a given calculation for LiMg (Lithium magnesium)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	35.570
(<r²>)^1/2	5.964